CID 506386

1-(4,7-difluoro-1h-indol-3-yl)-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C20H16F2N4O3
SMILES
C1CN(CCN1C(=O)C2=CC=CC=N2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)F
InChI
InChI=1S/C20H16F2N4O3/c21-13-4-5-14(22)17-16(13)12(11-24-17)18(27)20(29)26-9-7-25(8-10-26)19(28)15-3-1-2-6-23-15/h1-6,11,24H,7-10H2
InChIKey
NOSQBTFEPFUFOT-UHFFFAOYSA-N
Compound name
1-(4,7-difluoro-1H-indol-3-yl)-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

398.11905 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.12633 191.1
[M+Na]+ 421.10827 198.3
[M-H]- 397.11177 192.8
[M+NH4]+ 416.15287 197.8
[M+K]+ 437.08221 191.3
[M+H-H2O]+ 381.11631 178.2
[M+HCOO]- 443.11725 201.3
[M+CH3COO]- 457.13290 198.1
[M+Na-2H]- 419.09372 188.8
[M]+ 398.11850 186.3
[M]- 398.11960 186.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe